[(E)-(1-cyano-2-oxo-2-phenylethylidene)amino] benzoate
Formula:C16H10N2O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
[(E)-(1-cyano-2-oxo-2-phenylethylidene)amino] benzoate is a drug-like molecule.
| MolName | [(E)-(1-cyano-2-oxo-2-phenylethylidene)amino] benzoate |
| MolecularFormula | C16H10N2O3 |
| Smiles | N#C/C(/C(c1ccccc1)=O)=N\OC(c1ccccc1)=O |
| InChI | InChI=1S/C16H10N2O3/c17-11-14(15(19)12-7-3-1-4-8-12)18-21-16(20)13-9-5-2-6-10-13/h1-10H |
| InChIK | CSLITMYGKKNUDV-UHFFFAOYSA-N |
| TotalMolweight | 278.266 |
| Molweight | 278.266 |
| MonoisotopicMass | 278.069143 |
| CLogP | 2.503 |
| CLogS | -4.201 |
| H Acceptors | 5 |
| TotalSurfaceArea | 223.2 |
| Relative PSA | 0.27397 |
| PolarSurfaceArea | 79.52 |
| Druglikeness | -5.6863 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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